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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:47 UTC
Update Date2025-03-25 00:53:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200806
Frequency0.5
Structure
Chemical FormulaC12H10O4
Molecular Mass218.0579
SMILESCOc1ccc2c(O)cccc2c1C(=O)O
InChI KeyJWBFZKSPRHDWAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenecarboxylic acids and derivatives
Direct Parent naphthalenecarboxylic acids
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • naphthols and derivatives
  • o-methoxybenzoic acids and derivatives
  • organic oxides
    • Substituents
  • phenol ether
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-naphthalenecarboxylic acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • o-methoxybenzoic acid or derivatives
  • hydrocarbon derivative
  • 1-naphthol
  • 1-carboxy-2-haloaromatic compound
  • organooxygen compound